SCHEMBL21131950

SCHEMBL21131950

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccnc6ccccc56)c5ccccc45)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.52
MAPK14 Q16539 1/20 0.52
PIK3CA P42336 1/20 0.51
CYP1A2 P05177 1/20 0.50
ACVR1 Q04771 6/20 0.48
GRM4 Q14833 4/20 0.48
HTR2B P41595 1/20 0.48
MTNR1A P48039 1/20 0.48
KCNH2 Q12809 1/20 0.48
BMP4 P12644 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21131938 0.98 PIK3CA (0.53) TGFBR1MAPK14PIK3CACYP1A2ACVR1
SCHEMBL12580413 0.97 PIK3CA (0.54) TGFBR1MAPK14PIK3CACYP1A2ACVR1
SCHEMBL12580359 0.97 PIK3CA (0.54) TGFBR1MAPK14PIK3CACYP1A2ACVR1
SCHEMBL21131884 0.95 CYP1A2 (0.53) TGFBR1MAPK14PIK3CACYP1A2ACVR1
SCHEMBL12580372 0.95 PIK3CA (0.56) TGFBR1MAPK14PIK3CACYP1A2ACVR1
SCHEMBL12580422 0.95 PIK3CA (0.56) TGFBR1MAPK14PIK3CACYP1A2ACVR1
SCHEMBL21131947 0.91 CA12 (0.52) TGFBR1MAPK14PIK3CACYP1A2ACVR1
SCHEMBL17945617 0.90 CYP1A2 (0.57) TGFBR1MAPK14PIK3CACYP1A2ACVR1
SCHEMBL17343305 0.89 PIK3CA (0.55) TGFBR1MAPK14PIK3CACYP1A2ACVR1
SCHEMBL21159915 0.89 PIK3CA (0.51) TGFBR1MAPK14PIK3CACYP1A2ACVR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11211563-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-12-28 US disclosed
US-20190198766-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-06-27 US disclosed